Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30998996 | 0.88 | HTT (0.33) | HTTCYP2C19CYP2C9 | |
| SCHEMBL27796919 | 0.81 | APLNR (0.37) | CYP2C19CYP3A4AAK1KMT2A | |
| SCHEMBL27666222 | 0.79 | RIPK1 (0.46) | ALDH1A1CYP1A2CYP2D6POLB | |
| SCHEMBL27666213 | 0.79 | RIPK1 (0.46) | ALDH1A1CYP1A2CYP2D6POLB | |
| SCHEMBL25222546 | 0.77 | ALOX5 (0.43) | CYP2C19CYP2C9ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL27828808 | 0.77 | ALOX5 (0.43) | CYP2C19CYP2C9ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL25222547 | 0.77 | ALOX5 (0.43) | CYP2C19CYP2C9ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL3651052 | 0.76 | CYP1A2 (0.47) | HTTCYP2C19CYP2C9ALDH1A1CYP3A4 | |
| SCHEMBL27931107 | 0.76 | APLNR (0.43) | HTTALDH1A1AAK1MEN1NPC1 | |
| SCHEMBL27931106 | 0.76 | APLNR (0.43) | HTTALDH1A1AAK1MEN1NPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101679395-B | Triazolyl aminopyrimidine compounds | LILLY CO ELI | 2012-06-13 | — | — | CN | disclosed |
| CN-101679395-A | triazolyl aminopyrimidine compounds | LILLY CO ELI | 2010-03-24 | — | — | CN | disclosed |